7OD
Summary
| Name: | (2E,5R)-5-hydroxy-2-methylhept-2-enoic acid |
| Formula: | C8 H14 O3 |
| Formal charge: | 0 |
| Formula weight: | 158.195 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E,5R)-5-hydroxy-2-methylhept-2-enoic acid |
| OpenEye OEToolkits | 2.0.6 | (~{E},5~{R})-2-methyl-5-oxidanyl-hept-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(C)=[C@H]CC(O)CC |
| InChI | InChI | 1.03 | InChI=1S/C8H14O3/c1-3-7(9)5-4-6(2)8(10)11/h4,7,9H,3,5H2,1-2H3,(H,10,11)/b6-4+/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | FUDLYCKELQYCSU-PTYLAXBQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](O)C\C=C(C)\C(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH](O)CC=C(C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC[C@H](C/C=C(\C)/C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(CC=C(C)C(=O)O)O |
